tert-butyl 4-[3-[(2S)-1-methoxypropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidine-1-carboxylate

C23H35N3O4 — CID 69494076

IUPACtert-butyl 4-[3-[(2S)-1-methoxypropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidine-1-carboxylate
SMILESCOC[C@H](C)N1CC(c2ccccc2)N(C2CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C23H35N3O4/c1-17(16-29-5)25-15-20(18-9-7-6-8-10-18)26(21(25)27)19-11-13-24(14-12-19)22(28)30-23(2,3)4/h6-10,17,19-20H,11-16H2,1-5H3/t17-,20?/m0/s1
InChIKeyAUOHMQZBBHJZNY-DIMJTDRSSA-N
MW417.55 g/mol
LogP3.90
Rot. Bonds5

About tert-butyl 4-[3-[(2S)-1-methoxypropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidine-1-carboxylate

tert-butyl 4-[3-[(2S)-1-methoxypropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidine-1-carboxylate (PubChem CID 69494076) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is tert-butyl 4-[3-[(2S)-1-methoxypropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[(2S)-1-methoxypropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidine-1-carboxylate
PubChem CID69494076
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC Nametert-butyl 4-[3-[(2S)-1-methoxypropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidine-1-carboxylate
SMILESCOC[C@H](C)N1CC(c2ccccc2)N(C2CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C23H35N3O4/c1-17(16-29-5)25-15-20(18-9-7-6-8-10-18)26(21(25)27)19-11-13-24(14-12-19)22(28)30-23(2,3)4/h6-10,17,19-20H,11-16H2,1-5H3/t17-,20?/m0/s1
InChIKeyAUOHMQZBBHJZNY-DIMJTDRSSA-N
XLogP3.90
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[3-[(2S)-1-methoxypropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate
CID 10759909
tert-butyl 4-[5-(3-chlorophenyl)-2-oxo-3-(thian-4-yl)imidazolidin-1-yl]piperidine-1-carboxylate
CID 69113109
tert-butyl 4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]piperidine-1-carboxylate
CID 30665594
tert-butyl (2S)-2-phenylaziridine-1-carboxylate
CID 11769967
tert-butyl (3R,4S)-3,4-diphenylpiperidine-1-carboxylate
CID 101207420
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate
CID 129370784
tert-butyl 4-(4-methyl-3-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110610516
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate
CID 129162455
tert-butyl 4-phenacylpiperidine-1-carboxylate
CID 137373276
1-O-tert-butyl 4-O-(1-methoxypropan-2-yl) piperidine-1,4-dicarboxylate
CID 68535093

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[(2S)-1-methoxypropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[(2S)-1-methoxypropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidine-1-carboxylate (CID 69494076) is tert-butyl 4-[3-[(2S)-1-methoxypropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[(2S)-1-methoxypropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[(2S)-1-methoxypropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidine-1-carboxylate is COC[C@H](C)N1CC(c2ccccc2)N(C2CCN(C(=O)OC(C)(C)C)CC2)C1=O.
What is the InChIKey of tert-butyl 4-[3-[(2S)-1-methoxypropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidine-1-carboxylate?
The InChIKey is AUOHMQZBBHJZNY-DIMJTDRSSA-N. The full InChI is InChI=1S/C23H35N3O4/c1-17(16-29-5)25-15-20(18-9-7-6-8-10-18)26(21(25)27)19-11-13-24(14-12-19)22(28)30-23(2,3)4/h6-10,17,19-20H,11-16H2,1-5H3/t17-,20?/m0/s1.
What are the key properties of tert-butyl 4-[3-[(2S)-1-methoxypropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-[(2S)-1-methoxypropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidine-1-carboxylate has a molecular weight of 417.55 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[(2S)-1-methoxypropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 69494076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).